2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole

C9H4ClF3N2S — CID 90715200

IUPAC2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cl)cnc1-c1nccs1
InChIInChI=1S/C9H4ClF3N2S/c10-5-3-6(9(11,12)13)7(15-4-5)8-14-1-2-16-8/h1-4H
InChIKeyVLRCOBWPKBPHPQ-UHFFFAOYSA-N
MW264.66 g/mol
LogP3.88
Rot. Bonds1

About 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole

2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole (PubChem CID 90715200) has the molecular formula C9H4ClF3N2S and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
PubChem CID90715200
Molecular FormulaC9H4ClF3N2S
Molecular Weight264.66 g/mol
Exact Mass263.97
IUPAC Name2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(Cl)cnc1-c1nccs1
InChIInChI=1S/C9H4ClF3N2S/c10-5-3-6(9(11,12)13)7(15-4-5)8-14-1-2-16-8/h1-4H
InChIKeyVLRCOBWPKBPHPQ-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole (CID 90715200) is 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole is FC(F)(F)c1cc(Cl)cnc1-c1nccs1.
What is the InChIKey of 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is VLRCOBWPKBPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2S/c10-5-3-6(9(11,12)13)7(15-4-5)8-14-1-2-16-8/h1-4H.
What are the key properties of 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole?
2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 264.66 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 90715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).